| SpectraBase Compound ID | EGKQrZujmz8 |
|---|---|
| InChI | InChI=1S/C21H26O6/c1-5-6-14-9-18(23-3)21(22)20(11-14,24-4)13(2)19(27-21)15-7-8-16-17(10-15)26-12-25-16/h5,7-8,10-11,13,18-19,22H,1,6,9,12H2,2-4H3/t13?,18-,19-,20?,21?/m0/s1 |
| InChIKey | QUCQFLGBZXGZHJ-PIBMRGKCSA-N |
| Mol Weight | 374.43 g/mol |
| Molecular Formula | C21H26O6 |
| Exact Mass | 374.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bfrkz4E0XVk |
|---|---|
| Name | Schmiditin |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O6 |
| InChI | InChI=1S/C21H26O6/c1-5-6-14-9-18(23-3)21(22)20(11-14,24-4)13(2)19(27-21)15-7-8-16-17(10-15)26-12-25-16/h5,7-8,10-11,13,18-19,22H,1,6,9,12H2,2-4H3/t13?,18-,19-,20?,21?/m0/s1 |
| InChIKey | QUCQFLGBZXGZHJ-PIBMRGKCSA-N |
| Molecular Weight | 374.433 g/mol |
| SMILES | OC12C(C(C)[C@](O2)(c2cc3OCOc3cc2)[H])(C=C(C[C@@]1(OC)[H])CC=C)OC |
| SPLASH | splash10-03ki-0985000000-b4a425657fdd88b88f40 |
| Source of Spectrum | X2-53-482-1 |
| Synonyms | .delta(8').-3',4',5',6'-tetrahydro-7.o-4',8,3'-lignan |
| Wiley ID | 1603498 |